SCHEMBL4737140

SCHEMBL4737140

O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 3/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TNF P01375 1/20 0.48
PLA2G1B P04054 1/20 0.48
NOD2 Q9HC29 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4736783 0.90 GRIK1 (0.60) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4737108 0.87 POLB (0.59) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4734801 0.84 KMT2A (0.57) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4736437 0.82 KMT2A (0.81) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4735039 0.80 L3MBTL1 (0.56) MEN1KMT2ALMNAKDM4ETP53
SCHEMBL4910018 0.79 KMT2A (0.81) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4734522 0.78 ALDH1A1 (0.80) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL8482804 0.77 KDM4E (0.64) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL4733405 0.76 ALDH1A1 (0.47) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4736482 0.75 SMN1; SMN2 (0.52) MEN1KMT2ALMNANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed